4-[1-[2,4-bis(azanyl)pteridin-6-yl]propan-2-yl]benzoic acid

Systemtic Name: 4-[1-[2,4-bis(azanyl)pteridin-6-yl]propan-2-yl]benzoic acid Openeye Name: 4-[2-(2,4-diaminopteridin-6-yl)-1-methyl-ethyl]benzoic acid CAS Name: 4-[1-(2,4-diamino-6-pteridinyl)propan-2-yl]benzoic acid IUPAC Name: 4-[1-(2,4-diaminopteridin-6-yl)propan-2-yl]benzoic acid Traditional Name: 4-[2-(2,4-diaminopteridin-6-yl)-1-methyl-ethyl]benzoic acid Formula: C16H16N6O2 MolecularWeight: 324.33724

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)O

Isomeric SMILES

CC(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C16H16N6O2/c1-8(9-2-4-10(5-3-9)15(23)24)6-11-7-19-14-12(20-11)13(17)21-16(18)22-14/h2-5,7-8H,6H2,1H3,(H,23,24)(H4,17,18,19,21,22)